N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-hydroxycyclobutyl)-1,2-oxazole-3-carboxamide

C18H17FN4O3 — CID 156596100

IUPACN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-hydroxycyclobutyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cc(C2(O)CCC2)on1
InChIInChI=1S/C18H17FN4O3/c19-13-4-1-3-12(7-13)10-23-11-14(9-20-23)21-17(24)15-8-16(26-22-15)18(25)5-2-6-18/h1,3-4,7-9,11,25H,2,5-6,10H2,(H,21,24)
InChIKeyBQOYGEFWXGYNCU-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.68
Rot. Bonds5

About N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-hydroxycyclobutyl)-1,2-oxazole-3-carboxamide

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-hydroxycyclobutyl)-1,2-oxazole-3-carboxamide (PubChem CID 156596100) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-hydroxycyclobutyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-hydroxycyclobutyl)-1,2-oxazole-3-carboxamide
PubChem CID156596100
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-hydroxycyclobutyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cc(C2(O)CCC2)on1
InChIInChI=1S/C18H17FN4O3/c19-13-4-1-3-12(7-13)10-23-11-14(9-20-23)21-17(24)15-8-16(26-22-15)18(25)5-2-6-18/h1,3-4,7-9,11,25H,2,5-6,10H2,(H,21,24)
InChIKeyBQOYGEFWXGYNCU-UHFFFAOYSA-N
XLogP2.68
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-hydroxycyclobutyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-hydroxycyclobutyl)-1,2-oxazole-3-carboxamide (CID 156596100) is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-hydroxycyclobutyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-hydroxycyclobutyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-hydroxycyclobutyl)-1,2-oxazole-3-carboxamide is O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cc(C2(O)CCC2)on1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-hydroxycyclobutyl)-1,2-oxazole-3-carboxamide?
The InChIKey is BQOYGEFWXGYNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c19-13-4-1-3-12(7-13)10-23-11-14(9-20-23)21-17(24)15-8-16(26-22-15)18(25)5-2-6-18/h1,3-4,7-9,11,25H,2,5-6,10H2,(H,21,24).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-hydroxycyclobutyl)-1,2-oxazole-3-carboxamide?
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-hydroxycyclobutyl)-1,2-oxazole-3-carboxamide has a molecular weight of 356.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-hydroxycyclobutyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 156596100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).